Download models Download trajectory View trajectory
Status: Done started: 2014-Oct-31 08:31:41 UTC
Project NameAFC57237.1
SequenceMVMVLDNKLTKQIEEICAARGVRLTSQRKTVFELICASKRSSSAYELLEDLKKSEPQAKPPTVYRALDFLLEQGFIHRVE STNSFISCCSCNAHKHFSHLLICDQCGNVIESRDDSLVALLASNAEKHGFTISNHVIESHGVCQTCLSKEKKQQ
Secondary structure

CCCCCHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHCCCCCCHHHHHHHHHHCCCCCCCHHHHHHHHHHHHCCCEEEEE CCCCEEECCCCCCCCCCCEEEECCCCCCEEEECCHHHHHHHHHHHHHCCCEEEEEEEEEEEECHHHCCHHHHCC

Simulation (CABS) temperature3.5 - 1.0
Estimated finish time2014-Oct-31 21:26 UTC

Time evolution of structural features: CABS energy, End-to-end distance and Radius of gyration.

Cluster #123456789
Cluster density25.218.52.62.02.01.11.10.80.6
Cluster size128774128301817129
Average cluster RMSD5.14.215.613.915.316.015.214.214.8

Clustering of protein models is the task of separating a set of protein models (here a protein dynamics trajectory) into groups (called clusters). The clustering is done in such a way that models are more similar in the same group to each other (here in the sense of RMSD measure), than those in other groups (clusters). CABSfold utilizes classical K-means clustering method.
After clustering is done, each cluster representative is chosen (always the model which average dissimilarity to all models in a cluster is minimal). Predicted protein models, presented in the Predicted structures tab, are each cluster representatives (the clusters and the corresponding models are marked by the same numbers, e.g. Model 1 represents Cluster 1).
The clusters are numbered/ranked according to cluster density values, from the most dense (numbered as a first) to the least dense one.

#123456789
1 0.00 19.30 18.60 19.10 18.90 19.00 19.00 20.90 26.80
2 19.30 0.00 18.70 18.50 15.90 22.10 19.90 16.70 27.10
3 18.60 18.70 0.00 20.60 18.50 21.30 21.30 23.30 25.90
4 19.10 18.50 20.60 0.00 17.50 21.00 20.10 19.70 30.90
5 18.90 15.90 18.50 17.50 0.00 21.10 20.30 20.50 26.20
6 19.00 22.10 21.30 21.00 21.10 0.00 22.40 20.20 26.00
7 19.00 19.90 21.30 20.10 20.30 22.40 0.00 20.90 29.80
8 20.90 16.70 23.30 19.70 20.50 20.20 20.90 0.00 26.60
9 26.80 27.10 25.90 30.90 26.20 26.00 29.80 26.60 0.00

The table contains RMSD values (calculated on the Cα atoms) between the predicted models.
Read more about the root-mean-square deviation (RMSD) measure.

#123456789
1 1.00 0.24 0.15 0.21 0.17 0.19 0.15 0.20 0.13
2 0.24 1.00 0.15 0.18 0.21 0.17 0.15 0.19 0.12
3 0.15 0.15 1.00 0.17 0.16 0.15 0.21 0.15 0.12
4 0.21 0.18 0.17 1.00 0.15 0.13 0.14 0.19 0.13
5 0.17 0.21 0.16 0.15 1.00 0.14 0.15 0.15 0.15
6 0.19 0.17 0.15 0.13 0.14 1.00 0.16 0.16 0.12
7 0.15 0.15 0.21 0.14 0.15 0.16 1.00 0.15 0.13
8 0.20 0.19 0.15 0.19 0.15 0.16 0.15 1.00 0.13
9 0.13 0.12 0.12 0.13 0.15 0.12 0.13 0.13 1.00

The table contains GDT_TS values (calculated on the Cα atoms) between the predicted models.
Read more about the global distance test (GDT, also written as GDT_TS to represent "total score") measure.


 

© Laboratory of Theory of Biopolymers 2013